Ethyl 2-chloro-5-fluoro-3-pyridinecarboxylate

C8H7ClFNO2CAS 139911-30-1203.60 g/mol

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OOFNCl
Aryl halideEster

Properties

Molecular formula
C8H7ClFNO2
Molar mass
203.60 g/mol
Exact mass
203.0149 Da
logP
2.05Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
139911-30-1
SMILES
CCOC(=O)c1cc(F)cnc1Cl
InChIKey
ZCQJBYHGMYTQAO-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClFNO2/c1-2-13-8(12)6-3-5(10)4-11-7(6)9/h3-4H,2H2,1H3

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Names and synonyms

3 names
  • 3-Pyridinecarboxylic acid, 2-chloro-5-fluoro-, ethyl ester
  • 2-Chloro-5-fluoronicotinic acid ethyl ester
  • Ethyl 2-chloro-5-fluoronicotinate

Work with Ethyl 2-chloro-5-fluoro-3-pyridinecarboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl2-chloro-5-fluoronicotinate847729-27-568 % similar Ethyl chloronicotinate1452-94-457 % similar Ethyl 2,4-dichloro-5-pyrimidinecarboxylate51940-64-857 % similar Ethyl 4-chloro-2-methylpyrimidine-5-carboxylate2134-36-354 % similar 2-Chloro-5-fluoronicotinic acid38186-88-853 % similar Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate720-01-453 % similar Ethyl 4,6-dichloropyridine-3-carboxylate40296-46-652 % similar Ethyl 2,4-difluorobenzoate108928-00-351 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 2-amino-4-chloro-5-fluorobenzoate104901-79-3

Elsewhere

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